![3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine structure](/static/products/3545/354547-26-5.webp)
3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
TL;DR: 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 354547-26-5) is a chemical compound with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanyl-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-butylsulfanyl-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C23H26N4O3S |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 5.3412 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.17258 |
| Heavy Atoms | 31 |
| Complexity | 1047.0802 |
Chemical Identifiers
| CAS Number | 354547-26-5 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)OC)OCC)N=N1 |
Product Overview
3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 354547-26-5), with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol. IUPAC: 3-butylsulfanyl-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Property Insights of 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
The XLogP value of 5.3412 indicates that 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine. Following Lipinski's Rule of Five, 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The CAS number of 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 354547-26-5.
What is the molecular formula of 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular formula of 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is C23H26N4O3S.
What is the molecular weight of 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular weight of 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 438.17 g/mol.
Where can I buy 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
You can request a quote for 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(butylsulfanyl)-6-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.